Geometry & MOs

Info

ID:	79992
PubChem CID:	49832045
Reduced:	O3C23H38 (1)
Stoich.:	A3B23C38 (1)
Weight, g/mol:	412.166808
ΔH_f, kcal/mol:	-165.76
Dipole, Da:	2.49
IP(EA), eV:	-9.43(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-[[(E)-4-(benzenesulfonyl)but-3-enyl]amino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(CCC[C@@]2([C@@H]1CC[C@@]34[C@H]2CC[C@@](C3)(CO[C@H]4C)C)C)C

DOS

IR

Vibrations